2-bromo-3-methyl-5-(trifluoromethyl)pyridine
CAS No.：
Cat. No.: SC23507
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Product Name :2-bromo-3-methyl-5-(trifluoromethyl)pyridine
Cat. No.: :SC23507
Purity / Specification :—
CAS No. :1211520-05-6
MDL No. :MFCD18257684
Molecular Formula :C7H5BrF3N
LogP :3.10
Molecular Weight :240.02
TPSA :12.9
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1cc(C(F)(F)F)cnc1Br
Melting Point :—
InChI Key : :RNGBFMIZEULODE-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 240.0 Da
LogP ≤ 5✓ 3.10
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i74/100
Good drug-like profile
Predicted LogP
i3.10log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 12.9Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.